Laxiracemosin A
AlkaPlorer ID: AK129862
Synonym: None
IUPAC Name: 1-[4-[(3R,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1H-pyrrol-2-yl]-2-methylpropan-1-one
Structure
SMILES: CC(C)C(=O)C1=CC([C@@H]2CC[C@]3(C)C4=CCC5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)=CN1
InChI: InChI=1S/C30H45NO2/c1-18(2)26(33)23-16-19(17-31-23)20-10-14-30(7)22-8-9-24-27(3,4)25(32)12-13-28(24,5)21(22)11-15-29(20,30)6/h8,16-18,20-21,24-25,31-32H,9-15H2,1-7H3/t20-,21-,24?,25+,28+,29-,30+/m0/s1
InChIKey: OYZKNOGIJLFQSF-MQKGYZFGSA-N
Reference
Tirucallane-Type Alkaloids from the Bark of <i>Dysoxylum laxiracemosum</i>
PubChem CID: 49864192
LOTUS: LTS0064997
NPASS: NPC477041
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum laxiracemosum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.6950000000002
TPSA？: 53.09
MolLogP？: 7.286900000000009
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 5400.0 | nM | 10.1021/np100307f |
| Homo sapiens | HL-60 | IC50 | 3100.0 | nM | 10.1021/np100307f |
| Homo sapiens | MCF7 | IC50 | 16800.0 | nM | 10.1021/np100307f |
| Homo sapiens | SMMC-7721 | IC50 | 9500.0 | nM | 10.1021/np100307f |
| Homo sapiens | SW480 | IC50 | 7200.0 | nM | 10.1021/np100307f |